XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 18th Apr 2024, 06:18:37pm CEST
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Session Overview |
| Session | ||
MS-99: Non-covalent interactions in crystal engineering II
Invited: Andrea Pizzi (Italy), Christian Jelsch (France) | ||
| Introduction | ||
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2:45pm - 2:50pm
ID: 1833 / MS-99: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 753 / MS-99: 2 Chemical crystallography, crystal structures Oral/poster MS: Non-covalent interactions in crystal engineering Keywords: Keywords: Selenocistinic acid, Chalcogen Bond, Glutathione peroxidase Seleninic acids as chalcogen bond donors: a molecular insight of GPx activity 1Politecnico di Milano, Milano, Italy; 2Indian Institute of Technology; 3Monash University; 4IITB-Monash Research Academy External Resource:
 3:20pm - 3:50pm
ID: 853 / MS-99: 3 Chemical crystallography, crystal structures Oral/poster MS: Quantum crystallographic studies on intra/inter-molecular interactions, Non-covalent interactions in crystal engineering Keywords: intermolecular interactions ; electrostatic energy ; crystal packing Deciphering the driving forces in crystal packings by analysis of hydrogen bonds, electrostatic energies and contact enrichment ratios. 1CRM2 CNRS Université de Lorraine, Vandoeuvre les Nancy, France; 2University Felix Houphouet-Boigny, Abidjan, Côte d'Ivoire External Resource:
3:50pm - 4:10pm
ID: 296 / MS-99: 4 Bursary application Oral/poster MS: Graphs, tilings and crystal structures, Non-covalent interactions in crystal engineering, Crystallization mechanisms of small molecule systems Keywords: tenoxicam, solvates, keto–enolic tautomerization The role of S-bond in tenoxicam keto–enolic tautomerization. 1Novosibirsk State University, Novosibirsk, Russian Federation; 2Boreskov Institute of Catalysis SB RAS; 3International Tomography Center; 4National Research Center “Kurchatov Institute”; 5Center for Energy Science and Technology, Skoltech Skolkovo Institute of Science and Technology Bibliography
[1] J. R. Patel , R. A. Carlton , T. E. Needham , C. O. Chichester and F. G. Vogt , Int. J. Pharm., 2012, 436 , 685 —706. [2] R. G. Cantera , M. G. Leza and C. M. Bachiller , J. Pharm. Sci., 2002, 91 , 2240 —2251 [3] G. Bolla , P. Sanphui and A. Nangia , Cryst. Growth Des., 2013, 13 , 1988 —2003 [4] B. R. Beno , K.-S. Yeung , M. D. Bartberger , L. D. Pennington and N. A. Meanwell , J. Med. Chem., 2015, 58 , 4383 —4438 External Resource:
4:10pm - 4:30pm
ID: 278 / MS-99: 5 Bursary application Oral/poster MS: Crystallography using large volume presses and diamond anvil cells, Theory and practice of supramolecular synthons in crystal engineering, Non-covalent interactions in crystal engineering Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics), Methods, instrumentation (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: High-pressure X-ray diffraction, Membrane Diamond Anvil Cells, Halogen bonding, Mechanical Twinning, Periodic DFT calculations Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in lab 1Université de Lorraine, CNRS, CRM2, UMR 7036, Nancy 54000, France; 2Institut des Sciences Chimiques de Rennes (ISCR), UMR CNRS 6226, Université de Rennes 1, Campus de Beaulieu, 35042 Rennes, France Bibliography
1)Raju, K. B.; Ranjan, S.; Vishnu, V. S.; Bhattacharya, M.; Bhattacharya, B.; Mukhopadhyay, A. K.; Reddy, C. M. Rationalizing Distinct Mechanical Properties of Three Polymorphs of a Drug Adduct by Nanoindentation and Energy Frameworks Analysis: Role of Slip Layer Topology and Weak Interactions. Crystal Growth & Design 2018, 18 (7), 3927–3937. 2)Shukla, R.; Dhaka, A.; Aubert, E.; Vijayakumar-Syamala, V.; Jeannin, O.; Fourmigué, M.; Espinosa, E. Understanding Reactivity and Assembly of Dichalcogenides: Structural, Electrostatic Potential, and Topological Analyses of 3 H -1,2-Benzodithiol-3-One and Selenium Analogs. Crystal Growth & Design 2020, 20 (12), 7704–7725. https://doi.org/10.1021/acs.cgd.0c00961. External Resource:
4:30pm - 4:50pm
ID: 475 / MS-99: 6 Bursary application Oral/poster MS: Stimuli-responsive crystalline compounds, Non-covalent interactions in crystal engineering Keywords: cadmium(II), coordination polymers, cyanopyridine, flexible crystals Tuning mechanical responses of crystalline cadmium(II) coordination polymers through cyano functionality and halide anions Faculty of Science, University of Zagreb, Zagreb, Croatia Bibliography
1. M. Pisačić, I. Kodrin, N. Matijaković, N. Chatterjee, C. L. Oliver, B.-M. Kukovec, M. Đaković, Reversible Temperature-Stimulated Single- Crystal-to-Single-Crystal Conformational Polymorph Transformation in Cadmium(II) Coordination Trimer with a Water Vapor Sorption/Desorption Potential. (2020) Cryst.Growth Des. 20, 401-413. 2. N. Politeo, M. Pisačić, M. Đaković, V. Sokol, B.-M. Kukovec, The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex. (2020) Acta Cryst. E 76, 225-230. 3. N. Politeo, M. Pisačić, M. Đaković, V. Sokol, B.-M. Kukovec, The first coordination compound of 6-fluoronicotinate: the crystal structure of a one-dimensional nickel(II) coordination polymer containing the mixed ligands 6-fluoronicotinate and 4,4-bipyridine. (2020) Acta Cryst. E, 76, 500-505. 4. K. Varga, N. Lešić, B. Bogović, M. Pisačić, B. Panić, I. Biljan, I. Novak, H. Vančik, Thermally-Induced Reactions of Aromatic Crystalline Nitroso Compounds. (2019) ChemistrySelect, 4, 4709-4717. 5. M. Đaković, M. Borovina, M. Pisačić, C. B. Aakeröy, Ž. Soldin, B.-M. Kukovec, I. Kodrin, Mechanically Responsive Crystalline Coordination Polymers with Controllable Elasticity. (2018) Angew. Chem. Int. Ed. 57, 14801-14805. External Resource:
4:50pm - 5:10pm
ID: 1157 / MS-99: 7 Chemical crystallography, crystal structures Oral/poster MS: Non-covalent interactions in crystal engineering Keywords: Halogen bonding; cocrystal; polycyclic aromatic hydrocarbons Halogen Bonding for Aromatic Hydrocarbon Assembly in the Solid State McGill University, Montreal, Canada External Resource:
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